ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C11H10N2O4S — CID 3068161

IUPACethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C11H10N2O4S/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyXMEWWFLNPIMVLI-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.90
Rot. Bonds3

About ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 3068161) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID3068161
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Nameethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C11H10N2O4S/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyXMEWWFLNPIMVLI-UHFFFAOYSA-N
XLogP1.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 3068160
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
CID 13177563
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 47036926
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51949489
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565914
(2R,3R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565913
2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 14814729
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538275
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509929
ethyl 2-[[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]amino]-2-oxoacetate
CID 136615040
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 3068161) is ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is XMEWWFLNPIMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 266.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 3068161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).